SCHEMBL14130855

SCHEMBL14130855

O=C(Oc1c([N+](=O)[O-])c2nnnn2c2ccccc12)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.38
NPSR1 Q6W5P4 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
NCEH1 Q6PIU2 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TNKS O95271 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8637191 0.80 MAPT (0.36) TACR1NPSR1ALDH1A1MAPTATM
SCHEMBL6097459 0.76 S100A4 (0.47) TACR1NPSR1ALDH1A1MAPTLMNA
Water SCHEMBL6101423 0.75 S100A4 (0.46) TACR1NPSR1ALDH1A1MAPTLMNA
SCHEMBL6099876 0.74 LMNA (0.40) TACR1NPSR1ALDH1A1MAPTATM
SCHEMBL6106397 0.74 ALDH1A1 (0.51) NPSR1ALDH1A1MAPTLMNAKDM4E
SCHEMBL6100934 0.72 S100A4 (0.34) TACR1NPSR1ALDH1A1MAPTATM
SCHEMBL6100932 0.72 S100A4 (0.34) TACR1NPSR1ALDH1A1MAPTATM
SCHEMBL6100506 0.70 MAPT (0.47) NPSR1ALDH1A1MAPTATMLMNA
SCHEMBL6099481 0.69 ALDH1A1 (0.40) TACR1NPSR1ALDH1A1MAPTATM
SCHEMBL863108 0.68 PDE4D (0.41) ALDH1A1MAPTLMNAKDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161573-A1 PROCESS FOR THE PREPARATION OF IMIQUIMOD AND INTERMEDIATES THEREOF DIPHARMA S.P.A. (IT) 2008-07-03 US disclosed
US-7301027-B2 Process for the preparation of Imiquimod and intermediates thereof DIPHARMA S.P.A. (IT) 2007-11-27 US disclosed
US-7301027-B2 Process for the preparation of Imiquimod and intermediates thereof DIPHARMA S.P.A. (IT) 2007-11-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080161573-A1 PROCESS FOR THE PREPARATION OF IMIQUIMOD AND INTERMEDIATES THEREOF MYD88, TLR7, MAVS TACR1 4615/4885NPSR1 4720/4885ALDH1A1 315/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.